Crystallography Open Database

Information card for entry 7123760

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Coordinates	7123760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H49 N5 O Zn
Calculated formula	C29 H49 N5 O Zn
Title of publication	Synthesis of an Enantiopure Scorpionate Ligand by a Nucleophilic Addition to a Ketenimine and a Zinc Initiator for the Isoselective ROP of rac-Lactide
Authors of publication	Honrado, Manuel; Sobrino Ramírez, Sonia; Juan, Fernandez-Baeza; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Garcés Osado, Andrés; Lara, Agustin; Rodríguez, Ana María
Journal of publication	Chemical Communications
Year of publication	2019
a	7.9364 ± 0.0009 Å
b	21.825 ± 0.002 Å
c	17.4095 ± 0.0017 Å
α	90°
β	93.64 ± 0.006°
γ	90°
Cell volume	3009.4 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.138
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1387
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	0.862
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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